3UMF

Schistosoma mansoni adenylate kinase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2010-09-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97627
Spacegroup name	P 41 21 2
Unit cell lengths	82.695, 82.695, 66.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.978 - 2.047
R-factor	0.1906
Rwork	0.189
R-free	0.22770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3adk
RMSD bond length	0.003
RMSD bond angle	0.730
Data reduction software	MOSFLM
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.7.2_869)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.978		2.170
High resolution limit [Å]	2.047	6.090	2.047
Rmerge	0.069	0.031	0.608
Number of reflections	14849	631	2286
<I/σ(I)>	14.34	37.33	2.39
Completeness [%]	98.2	95.6	95.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291	100 mM Tris, pH 8.5, 1.4 M ammonium phosphate, VAPOR DIFFUSION, HANGING DROP, temperature 291K